N-[(4-methoxyphenyl)methyl]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine

C18H13F6N3O — CID 2766444

IUPACN-[(4-methoxyphenyl)methyl]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine
SMILESCOc1ccc(CNc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)cc1
InChIInChI=1S/C18H13F6N3O/c1-28-11-4-2-10(3-5-11)9-25-15-7-6-12-13(17(19,20)21)8-14(18(22,23)24)26-16(12)27-15/h2-8H,9H2,1H3,(H,25,26,27)
InChIKeyGAXKIEQFYZHWPM-UHFFFAOYSA-N
MW401.31 g/mol
LogP5.29
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine

N-[(4-methoxyphenyl)methyl]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine (PubChem CID 2766444) has the molecular formula C18H13F6N3O and a molecular weight of 401.31 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine
PubChem CID2766444
Molecular FormulaC18H13F6N3O
Molecular Weight401.31 g/mol
Exact Mass401.10
IUPAC NameN-[(4-methoxyphenyl)methyl]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine
SMILESCOc1ccc(CNc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)cc1
InChIInChI=1S/C18H13F6N3O/c1-28-11-4-2-10(3-5-11)9-25-15-7-6-12-13(17(19,20)21)8-14(18(22,23)24)26-16(12)27-15/h2-8H,9H2,1H3,(H,25,26,27)
InChIKeyGAXKIEQFYZHWPM-UHFFFAOYSA-N
XLogP5.29
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.31
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine (CID 2766444) is N-[(4-methoxyphenyl)methyl]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine is COc1ccc(CNc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine?
The InChIKey is GAXKIEQFYZHWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F6N3O/c1-28-11-4-2-10(3-5-11)9-25-15-7-6-12-13(17(19,20)21)8-14(18(22,23)24)26-16(12)27-15/h2-8H,9H2,1H3,(H,25,26,27).
What are the key properties of N-[(4-methoxyphenyl)methyl]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine?
N-[(4-methoxyphenyl)methyl]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine has a molecular weight of 401.31 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine is sourced from PubChem (CID 2766444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).